SCHEMBL24654085

SCHEMBL24654085

CCCCNC(=O)C1(C)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.46
SPHK1 Q9NYA1 6/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX1 P07099 2/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29306660 0.93 SPHK1 (0.50) SPHK1DRD2DRD4EPHX1
SCHEMBL23133081 0.92 SPHK1 (0.47) ACHESPHK1CYP3A4CYP2C19EPHX1
SCHEMBL3427647 0.86 SPHK1 (0.54) SPHK1CYP3A4CYP2C19EPHX1LMNA
SCHEMBL22549640 0.84 POLB (0.45) SPHK1DRD2DRD4CYP3A4CYP2C19
SCHEMBL25632161 0.80 DRD2 (0.42) SPHK1DRD2DRD4CYP3A4CYP2C19
SCHEMBL26081876 0.79 ALDH1A1 (0.40) DRD2DRD4CYP2C19EPHX1LMNA
SCHEMBL23329478 0.79 POLB (0.47) SPHK1CYP3A4CYP2C19EPHX1LMNA
SCHEMBL2998347 0.79 CYP3A4 (0.43) ACHESPHK1CYP3A4CYP2C19EPHX1
SCHEMBL24654083 0.79 DRD2 (0.44) DRD2DRD4CYP3A4CYP2C19LMNA
SCHEMBL22170861 0.79 PAOX (0.50) SPHK1DRD2DRD4CYP3A4CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022204288-A1 BRANCHED TAIL LIPID COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2022-09-29 WO disclosed